pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.21	AttenGpKa training set	1	0	[OH+]=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1CC1CC1,O=C1C[NH+]=C(c2ccccc2)c2cc(Cl)ccc2N1CC1CC1	O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1CC1CC1	mol29870	O=C1CN=C(c2ccccc2)c2cc(Cl)ccc2N1CC1CC1